SCHEMBL6875612

SCHEMBL6875612

CCCCCCCCCCCCCCCC(=O)NC(CC(=O)NCC(C)(C)CNC(=O)C(O)C(Cc1ccccc1)NC(=O)CCCCCCCCCCCCCCC)Cc1cc(F)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.42
PSMB5 P28074 2/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
FAAH O00519 2/20 0.38
LPAR1 Q92633 3/20 0.37
LPAR3 Q9UBY5 2/20 0.37
SMPD2 O60906 1/20 0.37
SMPD1 P17405 1/20 0.37
CERT1 Q9Y5P4 3/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6874881 1.00 ENPP2 (0.42) ENPP2PSMB5HDAC1HDAC6FAAH
SCHEMBL12291363 0.99 ENPP2 (0.41) ENPP2PSMB5HDAC1HDAC6FAAH
SCHEMBL6873844 0.94 CHRNB2 (0.37) ENPP2PSMB5HDAC1HDAC6
SCHEMBL10074455 0.92 ENPP2 (0.39) ENPP2PSMB5HDAC1HDAC6LPAR1
SCHEMBL10074987 0.92 ENPP2 (0.39) ENPP2PSMB5HDAC1HDAC6LPAR1
SCHEMBL13195308 0.92 ENPP2 (0.43) ENPP2PSMB5HDAC1HDAC6FAAH
SCHEMBL13194661 0.92 PSMB5 (0.39) ENPP2PSMB5HDAC1HDAC6FAAH
SCHEMBL10074154 0.91 ENPP2 (0.38) ENPP2PSMB5HDAC1HDAC6LPAR1
SCHEMBL13195333 0.91 BACE1 (0.37) PSMB5
SCHEMBL6872783 0.87 CTSD (0.34) ENPP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120258960-A1 NOVEL MULTIFUNCTIONAL PEPTIDASE INHIBITORS, ESPECIALLY FOR MEDICAL USE IMTM GMBH (DE) 2012-10-11 US disclosed
WO-2011026781-A1 NOVEL MULTIFUNCTIONAL PEPTIDASE INHIBITORS, ESPECIALLY FOR MEDICAL USE IMTM GMBH (DE) 2011-03-10 WO disclosed
EP-2292589-A1 Novel multifunctional peptidase inhibitors, especially for medical use IMTM GmbH (DE) 2011-03-09 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120258960-A1 NOVEL MULTIFUNCTIONAL PEPTIDASE INHIBITORS, ESPECIALLY FOR MEDICAL USE PEPD, CTSC, SERPINB1 ENPP2 269/4885PSMB5 320/4885HDAC1 1375/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.